Project name: SH3_N113F

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	NA113F
Energy difference between WT (input) and mutated protein (by FoldX)	-0.235957 kcal/mol Changes in protein stability upon mutation are calculated using the FoldX forcefield. Computational prediction of protein stability is used with the intention of preventing the experimental characterization of proteins bearing mutations that significantly destabilize their structure. Mutations resulting in a predicted reduction in protein stability ≥ 1 kcal/mol are considered disruptive.

• Minimal score value: -3.4838
• Maximal score value: 1.9218
• Average score: -0.6752
• Total score value: -40.5125

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan3D score	mutation
81	G	A	-0.4641
82	S	A	-0.6894
83	H	A	-0.7912
84	M	A	0.2578
85	T	A	0.0000
86	F	A	-0.1166
87	V	A	-0.6223
88	A	A	0.0000
89	L	A	-0.3125
90	Y	A	-0.7367
91	D	A	-2.8528
92	Y	A	-2.1055
93	E	A	-2.8815
94	S	A	0.0000
95	R	A	-2.7837
96	T	A	-2.1540
97	E	A	-2.3526
98	T	A	-1.2414
99	D	A	-1.3223
100	L	A	0.0000
101	S	A	-1.9034
102	F	A	0.0000
103	K	A	-3.4838
104	K	A	-2.8616
105	G	A	-1.9621
106	E	A	0.0000
107	R	A	-2.0777
108	L	A	0.0000
109	Q	A	-0.2901
110	I	A	1.0748
111	V	A	1.9218
112	N	A	1.1202
113	F	A	1.3844	mutated: NA113F
114	T	A	-0.1600
115	E	A	-1.8480
116	G	A	-1.8243
117	D	A	-2.2164
118	W	A	-0.6936
119	W	A	0.5062
120	L	A	1.1478
121	A	A	0.0000
122	H	A	-0.4080
123	S	A	0.0000
124	L	A	-0.2796
125	T	A	-0.7803
126	T	A	-0.8780
127	G	A	-0.8169
128	Q	A	-1.4119
129	T	A	-0.5070
130	G	A	0.0000
131	Y	A	0.5595
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-0.8499
135	N	A	-1.2480
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1568
140	S	A	-0.1759